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CHEBI:225010 - 2-methyloctanoic acid 6-oxo-2-propenyl-3,6-dihydro-2H-pyran-3-yl ester

ChEBI IDCHEBI:225010
ChEBI Name2-methyloctanoic acid 6-oxo-2-propenyl-3,6-dihydro-2H-pyran-3-yl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O4
Net Charge0
Average Mass294.391
Monoisotopic Mass294.18311
SMILESC/C=C/[C@@H]1OC(=O)C=C[C@@H]1OC(=O)C(C)CCCCCC
InChIInChI=1S/C17H26O4/c1-4-6-7-8-10-13(3)17(19)21-15-11-12-16(18)20-14(15)9-5-2/h5,9,11-15H,4,6-8,10H2,1-3H3/b9-5+/t13?,14-,15-/m0/s1
InChIKeyFRQOREGPSMRWBY-PWDDOPQWSA-N
ChEBI Ontology
Outgoing Relation(s)
2-methyloctanoic acid 6-oxo-2-propenyl-3,6-dihydro-2H-pyran-3-yl ester (CHEBI:225010) is a pyranone (CHEBI:37963)
IUPAC Name 
[(2S,3S)-6-oxo-2-[(E)-prop-1-enyl]-2,3-dihydropyran-3-yl] 2-methyloctanoate
Manual XrefsDatabases
8741137ChemSpider